5-chloro-1-methylpyrrolo[3,2-b]pyridine-2-carbaldehyde

C9H7ClN2O — CID 84665767

IUPAC5-chloro-1-methylpyrrolo[3,2-b]pyridine-2-carbaldehyde
SMILESCn1c(C=O)cc2nc(Cl)ccc21
InChIInChI=1S/C9H7ClN2O/c1-12-6(5-13)4-7-8(12)2-3-9(10)11-7/h2-5H,1H3
InChIKeyFBUHMLQRXYSRFU-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.04
Rot. Bonds1

About 5-chloro-1-methylpyrrolo[3,2-b]pyridine-2-carbaldehyde

5-chloro-1-methylpyrrolo[3,2-b]pyridine-2-carbaldehyde (PubChem CID 84665767) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 5-chloro-1-methylpyrrolo[3,2-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-chloro-1-methylpyrrolo[3,2-b]pyridine-2-carbaldehyde
PubChem CID84665767
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name5-chloro-1-methylpyrrolo[3,2-b]pyridine-2-carbaldehyde
SMILESCn1c(C=O)cc2nc(Cl)ccc21
InChIInChI=1S/C9H7ClN2O/c1-12-6(5-13)4-7-8(12)2-3-9(10)11-7/h2-5H,1H3
InChIKeyFBUHMLQRXYSRFU-UHFFFAOYSA-N
XLogP2.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-Chloropyrrolo[1,2-a]pyrazine-6-carbaldehyde
CID 105439130
9-[(3-Chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole-3-carbaldehyde
CID 141373745
4-Chloro-1-methylpyrrolo[3,2-c]pyridine-2-carbaldehyde
CID 343183
3-Chloro-8-fluoro-indolizine-5-carbaldehyde
CID 132116758
5-Chloro-6-fluoro-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde
CID 169003725
3-Chloro-9-methyl-5,6,7,8-tetrahydropyrido[3,4-b]indole-1-carbaldehyde
CID 102281813
5-chloro-N,N-diethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 135002988
1-(4-Chlorophenyl)-9-methyl-9h-pyrido[3,4-b]indole-3-carbaldehyde
CID 138753476
1-(4-Chlorophenyl)-9-ethylpyrido[3,4-b]indole-3-carbaldehyde
CID 178324523
6-Fluoro-1-methylpyrrolo[3,2-b]pyridine-2-carbaldehyde
CID 84717992
1-Methyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde
CID 105485170
5-chloro-N-(2-fluoroethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 178388008

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methylpyrrolo[3,2-b]pyridine-2-carbaldehyde?
The IUPAC name of 5-chloro-1-methylpyrrolo[3,2-b]pyridine-2-carbaldehyde (CID 84665767) is 5-chloro-1-methylpyrrolo[3,2-b]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-chloro-1-methylpyrrolo[3,2-b]pyridine-2-carbaldehyde?
The canonical SMILES for 5-chloro-1-methylpyrrolo[3,2-b]pyridine-2-carbaldehyde is Cn1c(C=O)cc2nc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-methylpyrrolo[3,2-b]pyridine-2-carbaldehyde?
The InChIKey is FBUHMLQRXYSRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-12-6(5-13)4-7-8(12)2-3-9(10)11-7/h2-5H,1H3.
What are the key properties of 5-chloro-1-methylpyrrolo[3,2-b]pyridine-2-carbaldehyde?
5-chloro-1-methylpyrrolo[3,2-b]pyridine-2-carbaldehyde has a molecular weight of 194.62 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methylpyrrolo[3,2-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 84665767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).